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BioShell 3.0: Library for Processing Structural Biology Data

BioShell is an open-source package for processing biological data, particularly focused on structural applications. The package provides parsers, data structures and algorithms for handling and analyzing macromolecular sequences, structures and sequence profiles. The most frequently used routines ar...

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Detalles Bibliográficos
Autores principales: Macnar, Joanna M., Szulc, Natalia A., Kryś, Justyna D., Badaczewska-Dawid, Aleksandra E., Gront, Dominik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175226/
https://www.ncbi.nlm.nih.gov/pubmed/32188163
http://dx.doi.org/10.3390/biom10030461
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author Macnar, Joanna M.
Szulc, Natalia A.
Kryś, Justyna D.
Badaczewska-Dawid, Aleksandra E.
Gront, Dominik
author_facet Macnar, Joanna M.
Szulc, Natalia A.
Kryś, Justyna D.
Badaczewska-Dawid, Aleksandra E.
Gront, Dominik
author_sort Macnar, Joanna M.
collection PubMed
description BioShell is an open-source package for processing biological data, particularly focused on structural applications. The package provides parsers, data structures and algorithms for handling and analyzing macromolecular sequences, structures and sequence profiles. The most frequently used routines are accessible by a set of easy-to-use command line utilities for a Linux environment. The full functionality of the package assumes knowledge of C++ or Python to assemble an application using this software library. Since the last publication that announced the version 2.0, the package has been greatly expanded and rewritten in C++ standard 11 (C++11) to improve its modularity and efficiency. A new testing platform has been implemented to continuously test the correctness and integrity of the package. More than two hundred test programs have been published to provide simple examples that can be used as templates. This makes BioShell an easy to use library that greatly speeds up development of bioinformatics applications and web services without compromising computational efficiency.
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spelling pubmed-71752262020-04-28 BioShell 3.0: Library for Processing Structural Biology Data Macnar, Joanna M. Szulc, Natalia A. Kryś, Justyna D. Badaczewska-Dawid, Aleksandra E. Gront, Dominik Biomolecules Article BioShell is an open-source package for processing biological data, particularly focused on structural applications. The package provides parsers, data structures and algorithms for handling and analyzing macromolecular sequences, structures and sequence profiles. The most frequently used routines are accessible by a set of easy-to-use command line utilities for a Linux environment. The full functionality of the package assumes knowledge of C++ or Python to assemble an application using this software library. Since the last publication that announced the version 2.0, the package has been greatly expanded and rewritten in C++ standard 11 (C++11) to improve its modularity and efficiency. A new testing platform has been implemented to continuously test the correctness and integrity of the package. More than two hundred test programs have been published to provide simple examples that can be used as templates. This makes BioShell an easy to use library that greatly speeds up development of bioinformatics applications and web services without compromising computational efficiency. MDPI 2020-03-16 /pmc/articles/PMC7175226/ /pubmed/32188163 http://dx.doi.org/10.3390/biom10030461 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Macnar, Joanna M.
Szulc, Natalia A.
Kryś, Justyna D.
Badaczewska-Dawid, Aleksandra E.
Gront, Dominik
BioShell 3.0: Library for Processing Structural Biology Data
title BioShell 3.0: Library for Processing Structural Biology Data
title_full BioShell 3.0: Library for Processing Structural Biology Data
title_fullStr BioShell 3.0: Library for Processing Structural Biology Data
title_full_unstemmed BioShell 3.0: Library for Processing Structural Biology Data
title_short BioShell 3.0: Library for Processing Structural Biology Data
title_sort bioshell 3.0: library for processing structural biology data
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175226/
https://www.ncbi.nlm.nih.gov/pubmed/32188163
http://dx.doi.org/10.3390/biom10030461
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